CID 59145516

6,6-dimethyl-1h,4h,5h,6h-pyrrolo[3,4-c]pyrazol-3-amine dihydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1(C2=C(CN1)C(=NN2)N)C
InChI
InChI=1S/C7H12N4/c1-7(2)5-4(3-9-7)6(8)11-10-5/h9H,3H2,1-2H3,(H3,8,10,11)
InChIKey
KLDLJJRSWZYEFL-UHFFFAOYSA-N
Compound name
6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

152.1062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 132.1
[M+Na]+ 175.095418 141.9
[M-H]- 151.098924 130.5
[M+NH4]+ 170.140023 154.4
[M+K]+ 191.069358 138.2
[M+H-H2O]+ 135.103460 126.0
[M+HCOO]- 197.104401 150.9
[M+CH3COO]- 211.120051 144.7
[M+Na-2H]- 173.080866 136.5
[M]+ 152.10565142 127.6
[M]- 152.10674858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe